UCSF

ZINC00156609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.78 4.09 -48.12 0 5 -1 82 153.117 1
Mid Mid (pH 6-8) 0.78 3.13 -14.52 1 5 0 79 154.125 1
Lo Low (pH 4.5-6) 0.78 3.35 -38.93 2 5 1 80 155.133 1
Lo Low (pH 4.5-6) 0.78 4.42 -33.44 1 5 0 83 154.125 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 105-108? Alfa-Aesar
Melting_Point 105-108° Alfa-Aesar
MP 107 TCI
Purity 97% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.